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Nonadditive interactions and the relative stability of neutral and anionic silver clusters
Author(s) -
Kaplan I. G.,
Santamaría R.,
Novaro O.
Publication year - 1995
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560550304
Subject(s) - chemistry , stability (learning theory) , chemical physics , computational chemistry , interaction energy , atomic physics , physics , molecule , machine learning , computer science , organic chemistry
We discuss the physical nature of nonadditivity in many‐particle systems and the methods of calculations of nonadditive contributions to the interaction energy. For neutral clusters, a closed recurrence formula which expresses the energy of m ‐body interactions through the energies of 2‐, 3‐, and ( m – 1)‐body ones is obtained. The general approach for calculation of the nonadditive contribution in the interaction energy of charged systems is developed. The comparative calculation of anionic and neutral silver clusters shows that the geometry of the most stable anionic clusters is established mainly by the additive forces. The stability of neutral silver clusters is determined by the competition of attractive additive forces and repulsive nonadditive ones. © 1995 John Wiley & Sons, Inc.